SEQ2FUN

BioLiP

PDB CCD ID: 5OZ
Number of entries in BioLiP: 6
Chemical formula: C4 H8 O
InChI: InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3
InChIKey: AMIMRNSIRUDHCM-UHFFFAOYSA-N
SMILES:
SoftwareSMILES
CACTVS 3.385
OpenEye OEToolkits 2.0.4		CC(C)C=O
Name:2-methylpropanal;
Isobutyraldehyde
ChEMBL: CHEMBL1404017
ZINC: ZINC000001866952
Reference:
  • Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).
  • Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).